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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 4,6-dimethyl-1-[2-(2-thienylmethylamino)ethyl]pyrimidin-2-one 4,6-dimethyl-1-[2-(2-thienylmeth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.47 5.35 -56.75 2 4 1 52 264.374 5 ↓
Mid Mid (pH 6-8) 1.47 4 -17.36 1 4 0 47 263.366 5 ↓

Analogs

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Popular Name: 4,6-dimethyl-1-[2-[(3-methyl-2-thienyl)methylamino]ethyl]pyrimidin-2-one 4,6-dimethyl-1-[2-[(3-methyl-2-t…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.84 5.93 -54.68 2 4 1 52 278.401 5 ↓
Mid Mid (pH 6-8) 1.84 4.57 -16.46 1 4 0 47 277.393 5 ↓

Analogs

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Popular Name: 1-[2-[(5-chloro-2-thienyl)methylamino]ethyl]-4,6-dimethyl-pyrimidin-2-one 1-[2-[(5-chloro-2-thienyl)methyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.27 5.97 -61.22 2 4 1 52 298.819 5 ↓
Mid Mid (pH 6-8) 2.27 4.62 -17.32 1 4 0 47 297.811 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,6-dimethyl-1-[2-[(5-methyl-2-thienyl)methylamino]ethyl]pyrimidin-2-one 4,6-dimethyl-1-[2-[(5-methyl-2-t…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.69 6.19 -54.94 2 4 1 52 278.401 5 ↓
Mid Mid (pH 6-8) 1.69 4.84 -16.87 1 4 0 47 277.393 5 ↓

Analogs

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Popular Name: 1-[2-[(4-bromo-2-thienyl)methylamino]ethyl]-4,6-dimethyl-pyrimidin-2-one 1-[2-[(4-bromo-2-thienyl)methyla…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.21 5.96 -58.9 2 4 1 52 343.27 5 ↓
Mid Mid (pH 6-8) 2.21 4.61 -16.64 1 4 0 47 342.262 5 ↓

Analogs

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Popular Name: 4,6-dimethyl-1-[2-[[(1S)-1-(2-thienyl)ethyl]amino]ethyl]pyrimidin-2-one 4,6-dimethyl-1-[2-[[(1S)-1-(2-th…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.03 5.87 -52.9 2 4 1 52 278.401 5 ↓
Mid Mid (pH 6-8) 2.03 4.68 -16.34 1 4 0 47 277.393 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,6-dimethyl-1-[2-[[(1R)-1-(2-thienyl)ethyl]amino]ethyl]pyrimidin-2-one 4,6-dimethyl-1-[2-[[(1R)-1-(2-th…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.03 5.87 -52.24 2 4 1 52 278.401 5 ↓
Mid Mid (pH 6-8) 2.03 4.65 -17.05 1 4 0 47 277.393 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(2-thienylmethylamino)ethyl]pyrimidin-2-one 1-[2-(2-thienylmethylamino)ethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.48 4.3 -56.48 2 4 1 52 236.32 5 ↓
Mid Mid (pH 6-8) 0.48 2.95 -17.31 1 4 0 47 235.312 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(3-methyl-2-thienyl)methylamino]ethyl]pyrimidin-2-one 1-[2-[(3-methyl-2-thienyl)methyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.86 4.87 -56.16 2 4 1 52 250.347 5 ↓
Mid Mid (pH 6-8) 0.86 3.51 -17.14 1 4 0 47 249.339 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(4-bromo-2-thienyl)methylamino]ethyl]pyrimidin-2-one 1-[2-[(4-bromo-2-thienyl)methyla…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.22 4.91 -60.22 2 4 1 52 315.216 5 ↓
Mid Mid (pH 6-8) 1.22 3.56 -19.69 1 4 0 47 314.208 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[[(1S)-1-(2-thienyl)ethyl]amino]ethyl]pyrimidin-2-one 1-[2-[[(1S)-1-(2-thienyl)ethyl]a…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.04 4.82 -53.59 2 4 1 52 250.347 5 ↓
Mid Mid (pH 6-8) 1.04 3.6 -17.6 1 4 0 47 249.339 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[[(1R)-1-(2-thienyl)ethyl]amino]ethyl]pyrimidin-2-one 1-[2-[[(1R)-1-(2-thienyl)ethyl]a…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.04 4.82 -54.31 2 4 1 52 250.347 5 ↓
Mid Mid (pH 6-8) 1.04 3.63 -16.94 1 4 0 47 249.339 5 ↓

Parameters Provided:

ring.id = 69367
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 69367 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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